7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane

C15H29N3 — CID 174168118

IUPAC7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CC(CN2CC3(CCN(C)CC3)C2)C1
InChIInChI=1S/C15H29N3/c1-13(2)18-9-14(10-18)8-17-11-15(12-17)4-6-16(3)7-5-15/h13-14H,4-12H2,1-3H3
InChIKeyRXWPVWUQORGZKJ-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.35
Rot. Bonds3

About 7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane

7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 174168118) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID174168118
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CC(CN2CC3(CCN(C)CC3)C2)C1
InChIInChI=1S/C15H29N3/c1-13(2)18-9-14(10-18)8-17-11-15(12-17)4-6-16(3)7-5-15/h13-14H,4-12H2,1-3H3
InChIKeyRXWPVWUQORGZKJ-UHFFFAOYSA-N
XLogP1.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 174168119
2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 167417706
7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878
7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane
CID 167417400
2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 155599548
2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417819
2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane
CID 170666585
7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 155702599
7-methyl-2-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174349945
2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170669704
ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine
CID 172630625
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane (CID 174168118) is 7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane is CC(C)N1CC(CN2CC3(CCN(C)CC3)C2)C1.
What is the InChIKey of 7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is RXWPVWUQORGZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-13(2)18-9-14(10-18)8-17-11-15(12-17)4-6-16(3)7-5-15/h13-14H,4-12H2,1-3H3.
What are the key properties of 7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 251.42 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 174168118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).